SCHEMBL24671535

SCHEMBL24671535

N=C(N)NCc1ccc(NC(=O)c2cnc(C3=CCN(C(=N)N)CC3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.39
F2 P00734 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
NAMPT P43490 5/20 0.36
TRPV1 Q8NER1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL29803355 0.94 TRPV1 (0.40) TMPRSS2EGLN1TRPV1
SCHEMBL24892250 0.88 PRKAA2 (0.40) TMPRSS2EGLN1NAMPTALDH1A1NPC1
SCHEMBL24891807 0.88 PRKAA2 (0.40) TMPRSS2EGLN1NAMPTALDH1A1NPC1
SCHEMBL24669387 0.87 TMPRSS2 (0.45) TMPRSS2F2NAMPTALDH1A1MAPT
SCHEMBL24891885 0.87 TMPRSS2 (0.45) TMPRSS2F2NAMPTALDH1A1MAPT
SCHEMBL24669641 0.86 EGLN1 (0.41) F2JAK2JAK1EGLN1NAMPT
SCHEMBL24891672 0.85 NAMPT (0.43) TMPRSS2EGLN1NAMPTALDH1A1
SCHEMBL30181035 0.85 NAMPT (0.43) TMPRSS2EGLN1NAMPTALDH1A1
SCHEMBL30180909 0.85 TMPRSS2 (0.39) TMPRSS2F2JAK2JAK1EGLN1
SCHEMBL29802997 0.84 PTPN11 (0.39) TMPRSS2F2JAK2JAK1EGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO claimed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed